methyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate

C13H14N2O2S — CID 113373016

IUPACmethyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate
SMILESCOC(=O)C(Nc1ccc(C)cc1)c1nccs1
InChIInChI=1S/C13H14N2O2S/c1-9-3-5-10(6-4-9)15-11(13(16)17-2)12-14-7-8-18-12/h3-8,11,15H,1-2H3
InChIKeyDPVWPCHHKGXWJG-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.78
Rot. Bonds4

About methyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate

methyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate (PubChem CID 113373016) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is methyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate
PubChem CID113373016
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Namemethyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate
SMILESCOC(=O)C(Nc1ccc(C)cc1)c1nccs1
InChIInChI=1S/C13H14N2O2S/c1-9-3-5-10(6-4-9)15-11(13(16)17-2)12-14-7-8-18-12/h3-8,11,15H,1-2H3
InChIKeyDPVWPCHHKGXWJG-UHFFFAOYSA-N
XLogP2.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide
CID 113373008
dimethyl 2-(4-methylanilino)propanedioate
CID 13331494
methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 60991897
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)acetate
CID 60991414
methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate
CID 23243531
methyl (2S)-2-(4-methylanilino)propanoate
CID 6940435
methyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate
CID 60991906
N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
CID 64988274
methyl (2S)-3-methyl-2-(4-methylanilino)butanoate
CID 11356478
methyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
CID 107124335
2-(3-bromoanilino)-2-(1,3-thiazol-2-yl)acetamide
CID 113373006
methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate
CID 60991774

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate?
The IUPAC name of methyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate (CID 113373016) is methyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate?
The canonical SMILES for methyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate is COC(=O)C(Nc1ccc(C)cc1)c1nccs1.
What is the InChIKey of methyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate?
The InChIKey is DPVWPCHHKGXWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-3-5-10(6-4-9)15-11(13(16)17-2)12-14-7-8-18-12/h3-8,11,15H,1-2H3.
What are the key properties of methyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate?
methyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate has a molecular weight of 262.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 113373016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).